1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

C16H21BrClN3 — CID 103030404

IUPAC1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H21BrClN3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)12-4-6-14(17)15(18)11-12/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3
InChIKeyZXONFGFJCSOLIL-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.51
Rot. Bonds7

About 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 103030404) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID103030404
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H21BrClN3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)12-4-6-14(17)15(18)11-12/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3
InChIKeyZXONFGFJCSOLIL-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030397
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995282
[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103217868
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 103030404) is 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccnn1C)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is ZXONFGFJCSOLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)12-4-6-14(17)15(18)11-12/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 370.72 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).